[
  {
    "molid": "mol32522",
    "smiles": "N#Cc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#Cc1ccc(O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)cc1",
        "std_free_energy": -2.686821699142456,
        "relative_population": 0.9997326772247326
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "N#Cc1ccc(O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]2O)cc1",
        "std_free_energy": -10.759007453918457,
        "relative_population": 0.9999983160606886
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.22,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]